SCHEMBL14348199

SCHEMBL14348199

O=C(NC1Cc2ccccc2C1O)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 2/20 0.46
CNR1 P21554 3/20 0.45
MAPK14 Q16539 4/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PGR P06401 7/20 0.42
MAPK1 P28482 1/20 0.42
RORC P51449 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14348200 0.84 MTNR1A (0.42) MTNR1AMTNR1BPGR
SCHEMBL27203790 0.84 MTNR1A (0.42) MTNR1AMTNR1BPGR
SCHEMBL27203853 0.81 MTNR1A (0.40) PYGLMTNR1AMTNR1BPGR
SCHEMBL24011024 0.80 CNR1 (0.50) PYGLCNR1MAPK14MTNR1AMTNR1B
SCHEMBL14142980 0.79 LMNA (0.39) MAPK14MTNR1AMTNR1BPGR
SCHEMBL10818656 0.78 MEN1 (0.43) MAPK1
SCHEMBL6198595 0.77 CNR1 (0.48) PYGLCNR1MAPK14MTNR1AMTNR1B
SCHEMBL29854613 0.76 EPHX2 (0.44) MTNR1AMTNR1BPGR
SCHEMBL26763722 0.76 CNR1 (0.47) PYGLCNR1MAPK14MTNR1AMTNR1B
SCHEMBL19200342 0.75 MAPT (0.54) PYGLCNR1MTNR1AMTNR1BMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS QIAO JENNIFER X 2007-06-14 US disclosed
US-7205318-B2 Lactam-containing cyclic diamines and derivatives as a factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070135428-A1 LACTAM CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS F12, F2, PEPD PYGL 2068/4885CNR1 4012/4885MAPK14 2758/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.